4WRS
 
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5X2E
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5X2D
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4YK5
 | | Crystal Structures of mPGES-1 Inhibitor Complexes | | 分子名称: | 2-(2-METHOXYETHOXY)ETHANOL, 3-[1-(4-chlorobenzyl)-5-(2-fluoro-2'-methylbiphenyl-4-yl)-3-methyl-1H-indol-2-yl]-2,2-dimethylpropanoic acid, GLUTATHIONE, ... | | 著者 | Luz, J.G, Antonysamy, S, Kuklish, S.L, Fisher, M.J. | | 登録日 | 2015-03-04 | | 公開日 | 2015-07-15 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | | 主引用文献 | Crystal Structures of mPGES-1 Inhibitor Complexes Form a Basis for the Rational Design of Potent Analgesic and Anti-Inflammatory Therapeutics.
J.Med.Chem., 58, 2015
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4YL1
 | | Crystal Structures of mPGES-1 Inhibitor Complexes | | 分子名称: | 5-(4-tert-butylphenyl)-1-[4-(propan-2-yloxy)phenyl]-1H-indole-2-carboxylic acid, DI(HYDROXYETHYL)ETHER, GLUTATHIONE, ... | | 著者 | Luz, J.G, Antonysamy, S, Kuklish, S.L, Fisher, M.J. | | 登録日 | 2015-03-04 | | 公開日 | 2015-06-10 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | | 主引用文献 | Crystal Structures of mPGES-1 Inhibitor Complexes Form a Basis for the Rational Design of Potent Analgesic and Anti-Inflammatory Therapeutics.
J.Med.Chem., 58, 2015
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5IPJ
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4YL0
 | | Crystal Structures of mPGES-1 Inhibitor Complexes | | 分子名称: | 2-(9-chloro-1H-phenanthro[9,10-d]imidazol-2-yl)benzene-1,3-dicarbonitrile, DI(HYDROXYETHYL)ETHER, GLUTATHIONE, ... | | 著者 | Luz, J.G, Antonysamy, S, Kuklish, S.L, Fisher, M.J. | | 登録日 | 2015-03-04 | | 公開日 | 2015-06-10 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | | 主引用文献 | Crystal Structures of mPGES-1 Inhibitor Complexes Form a Basis for the Rational Design of Potent Analgesic and Anti-Inflammatory Therapeutics.
J.Med.Chem., 58, 2015
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4YL3
 | | Crystal Structures of mPGES-1 Inhibitor Complexes | | 分子名称: | 5-[4-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-{[4-(trifluoromethyl)phenyl]ethynyl}pyridine, GLUTATHIONE, Prostaglandin E synthase, ... | | 著者 | Luz, J.G, Antonysamy, S, Kuklish, S.L, Fisher, M.J. | | 登録日 | 2015-03-04 | | 公開日 | 2015-07-08 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | | 主引用文献 | Crystal Structures of mPGES-1 Inhibitor Complexes Form a Basis for the Rational Design of Potent Analgesic and Anti-Inflammatory Therapeutics.
J.Med.Chem., 58, 2015
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3U8W
 | | Crystal Structure of p38a Mitogen-Activated Protein Kinase in Complex with a Triazolopyridazinone inhibitor | | 分子名称: | 3-[3-(2-chloro-6-fluorophenyl)-5-ethyl-6-oxo-5,6-dihydro[1,2,4]triazolo[4,3-b]pyridazin-7-yl]-N-cyclopropyl-4-methylbenzamide, Mitogen-activated protein kinase 14 | | 著者 | Mohr, C, Jordan, S. | | 登録日 | 2011-10-17 | | 公開日 | 2012-08-29 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Identification of triazolopyridazinones as potent p38alpha inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
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3L9M
 | | Crystal structure of PKAB3 (pka triple mutant V123A, L173M, Q181K) with compound 18 | | 分子名称: | (2S)-N~1~-[5-(3-methyl-1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)propane-1,2-diamine, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | | 著者 | Huang, X. | | 登録日 | 2010-01-05 | | 公開日 | 2011-01-19 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Azole-based inhibitors of AKT/PKB for the treatment of cancer.
Bioorg.Med.Chem.Lett., 20, 2010
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3LHJ
 | | Crystal Structure of p38a Mitogen-Activated Protein Kinase in Complex with a Pyrazolopyridinone Inhibitor. | | 分子名称: | Mitogen-activated protein kinase 14, N-cyclopropyl-3-[1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-5-yl]-4-methylbenzamide | | 著者 | Mohr, C, Jordan, S. | | 登録日 | 2010-01-22 | | 公開日 | 2010-04-14 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (3.31 Å) | | 主引用文献 | Discovery and evaluation of 7-alkyl-1,5-bis-aryl-pyrazolopyridinones as highly potent, selective, and orally efficacious inhibitors of p38alpha mitogen-activated protein kinase.
J.Med.Chem., 53, 2010
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3L9N
 | | crystal structure of PKAB3 (pka triple mutant V123A, L173M, Q181K) with compound 27 | | 分子名称: | (2S)-N~1~-[5-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)propane-1,2-diamine, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | | 著者 | Huang, X. | | 登録日 | 2010-01-05 | | 公開日 | 2011-01-19 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Azole-based inhibitors of AKT/PKB for the treatment of cancer.
Bioorg.Med.Chem.Lett., 20, 2010
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3L9L
 | | Crystal structure of pka with compound 36 | | 分子名称: | 5-[2-({(2S)-2-amino-3-[4-(trifluoromethyl)phenyl]propyl}amino)-1,3-thiazol-5-yl]-1,3-dihydro-2H-indol-2-one, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | | 著者 | Huang, X. | | 登録日 | 2010-01-05 | | 公開日 | 2011-01-19 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Azole-based inhibitors of AKT/PKB for the treatment of cancer.
Bioorg.Med.Chem.Lett., 20, 2010
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3GFE
 | | Crystal Structure of p38a Mitogen-Activated Protein Kinase in Complex with a Pyrazolopyridinone Inhibitor | | 分子名称: | Mitogen-activated protein kinase 14, N-cyclopropyl-3-{[1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl]amino}-4-methylbenzamide | | 著者 | Mohr, C, Jordan, S. | | 登録日 | 2009-02-26 | | 公開日 | 2009-07-14 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Part 1: Structure-Activity Relationship (SAR) investigations of fused pyrazoles as potent, selective and orally available inhibitors of p38alpha mitogen-activated protein kinase.
Bioorg.Med.Chem.Lett., 19, 2009
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3ITZ
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3IDP
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5UY8
 | | Crystal structure of AICARFT bound to an antifolate | | 分子名称: | 5-[(5S)-5-ethyl-5-methyl-6-oxo-1,4,5,6-tetrahydropyridin-3-yl]-N-(6-fluoro-1-oxo-1,2-dihydroisoquinolin-7-yl)thiophene-2-sulfonamide, AMINOIMIDAZOLE 4-CARBOXAMIDE RIBONUCLEOTIDE, Bifunctional purine biosynthesis protein PURH, ... | | 著者 | Wang, J, Wang, Y, Fales, K.R, Atwell, S, Clawson, D. | | 登録日 | 2017-02-23 | | 公開日 | 2018-01-10 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | | 主引用文献 | Discovery of N-(6-Fluoro-1-oxo-1,2-dihydroisoquinolin-7-yl)-5-[(3R)-3-hydroxypyrrolidin-1-yl]thiophene-2-sulfonamide (LSN 3213128), a Potent and Selective Nonclassical Antifolate Aminoimidazole-4-carboxamide Ribonucleotide Formyltransferase (AICARFT) Inhibitor Effective at Tumor Suppression in a Cancer Xenograft Model.
J. Med. Chem., 60, 2017
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5UZ0
 | | Crystal structure of AICARFT bound to an antifolate | | 分子名称: | AMINOIMIDAZOLE 4-CARBOXAMIDE RIBONUCLEOTIDE, Bifunctional purine biosynthesis protein PURH, MAGNESIUM ION, ... | | 著者 | Atwell, S, Wang, Y, Fales, K.R, Clawson, D, Wang, J. | | 登録日 | 2017-02-24 | | 公開日 | 2018-01-10 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | Discovery of N-(6-Fluoro-1-oxo-1,2-dihydroisoquinolin-7-yl)-5-[(3R)-3-hydroxypyrrolidin-1-yl]thiophene-2-sulfonamide (LSN 3213128), a Potent and Selective Nonclassical Antifolate Aminoimidazole-4-carboxamide Ribonucleotide Formyltransferase (AICARFT) Inhibitor Effective at Tumor Suppression in a Cancer Xenograft Model.
J. Med. Chem., 60, 2017
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